3-methyl-N-(2-pentoxyethyl)hex-5-en-1-amine

C14H29NO — CID 123353953

IUPAC3-methyl-N-(2-pentoxyethyl)hex-5-en-1-amine
SMILESC=CCC(C)CCNCCOCCCCC
InChIInChI=1S/C14H29NO/c1-4-6-7-12-16-13-11-15-10-9-14(3)8-5-2/h5,14-15H,2,4,6-13H2,1,3H3
InChIKeyFNXCKSQUKODTNF-UHFFFAOYSA-N
MW227.39 g/mol
LogP3.39
Rot. Bonds12

About 3-methyl-N-(2-pentoxyethyl)hex-5-en-1-amine

3-methyl-N-(2-pentoxyethyl)hex-5-en-1-amine (PubChem CID 123353953) has the molecular formula C14H29NO and a molecular weight of 227.39 g/mol. Its IUPAC name is 3-methyl-N-(2-pentoxyethyl)hex-5-en-1-amine.

Molecular Properties

Compound Name3-methyl-N-(2-pentoxyethyl)hex-5-en-1-amine
PubChem CID123353953
Molecular FormulaC14H29NO
Molecular Weight227.39 g/mol
Exact Mass227.22
IUPAC Name3-methyl-N-(2-pentoxyethyl)hex-5-en-1-amine
SMILESC=CCC(C)CCNCCOCCCCC
InChIInChI=1S/C14H29NO/c1-4-6-7-12-16-13-11-15-10-9-14(3)8-5-2/h5,14-15H,2,4,6-13H2,1,3H3
InChIKeyFNXCKSQUKODTNF-UHFFFAOYSA-N
XLogP3.39
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.39
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(2-pentoxyethyl)hex-5-en-1-amine?
The IUPAC name of 3-methyl-N-(2-pentoxyethyl)hex-5-en-1-amine (CID 123353953) is 3-methyl-N-(2-pentoxyethyl)hex-5-en-1-amine.
What is the SMILES notation for 3-methyl-N-(2-pentoxyethyl)hex-5-en-1-amine?
The canonical SMILES for 3-methyl-N-(2-pentoxyethyl)hex-5-en-1-amine is C=CCC(C)CCNCCOCCCCC.
What is the InChIKey of 3-methyl-N-(2-pentoxyethyl)hex-5-en-1-amine?
The InChIKey is FNXCKSQUKODTNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO/c1-4-6-7-12-16-13-11-15-10-9-14(3)8-5-2/h5,14-15H,2,4,6-13H2,1,3H3.
What are the key properties of 3-methyl-N-(2-pentoxyethyl)hex-5-en-1-amine?
3-methyl-N-(2-pentoxyethyl)hex-5-en-1-amine has a molecular weight of 227.39 g/mol, XLogP of 3.39, 12 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(2-pentoxyethyl)hex-5-en-1-amine is sourced from PubChem (CID 123353953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).